RefChem:228931
TL;DR: RefChem:228931 (CAS 5356-55-8) is a chemical compound with molecular formula C23H32Cl2N2O3 and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylbutan-1-one;dihydrochloride
Also Known As: 1-Butanone, 4-(4-(2-(4-methoxyphenoxy)ethyl)-1-piperazinyl)-1-phenyl-, dihydrochloride, 4-(4-(2-(4-Methoxyphenoxy)ethyl)-1-piperazinyl)-1-phenyl-1-butanone dihydrochloride, N(sup 1)-(3-Benzoylpropyl)-N(sup 2)-(2-(4'-methoxyphenoxy)ethyl)piperazine dihydrochloride, 4-{4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl}-1-phenylbutan-1-one dihydrochloride, 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylbutan-1-one dihydrochloride
| Molecular Formula | C23H32Cl2N2O3 |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 4.1983 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 454.179 |
| Heavy Atoms | 30 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 5356-55-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCCN2CCN(CC2)CCCC(=O)C3=CC=CC=C3.Cl.Cl |
| InChIKey | YUJTYVYMAQHOQD-UHFFFAOYSA-N |
Product Overview
RefChem:228931 (CAS 5356-55-8), with molecular formula C23H32Cl2N2O3 and molecular weight 454.18 g/mol. IUPAC: 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylbutan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:228931
Property Insights of RefChem:228931
The XLogP value of 4.1983 indicates that RefChem:228931 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, RefChem:228931 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228931 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228931?
The CAS number of RefChem:228931 is 5356-55-8.
What is the molecular formula of RefChem:228931?
The molecular formula of RefChem:228931 is C23H32Cl2N2O3.
What is the molecular weight of RefChem:228931?
The molecular weight of RefChem:228931 is 454.18 g/mol.
Where can I buy RefChem:228931?
You can request a quote for RefChem:228931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228931?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.